CID 118097186

Methyl 2-ethenyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H7NO2S
SMILES
COC(=O)C1=CN=C(S1)C=C
InChI
InChI=1S/C7H7NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h3-4H,1H2,2H3
InChIKey
QYORWSLJXJHLTH-UHFFFAOYSA-N
Compound name
methyl 2-ethenyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.01974 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 136.0
[M+Na]+ 192.00896 146.6
[M+NH4]+ 187.05356 143.8
[M+K]+ 207.98290 141.2
[M-H]- 168.01246 136.2
[M+Na-2H]- 189.99441 139.9
[M]+ 169.01919 137.8
[M]- 169.02029 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe